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2898-95-5

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2898-95-5 Structure

2898-95-5 Structure
IdentificationBack Directory
[Name]

Cholan-24-oic acid, 3,7-dihydroxy-, MonosodiuM salt, (3a,5b,7b)-
[CAS]

2898-95-5
[Synonyms]

Sodium ursodesoxycholate
URSODEOXYCHOLIC ACID SODIUM SALT USP/EP/BP
Cholan-24-oic acid, 3,7-dihydroxy-, MonosodiuM salt, (3a,5b,7b)-
(3alpha,5beta,7beta)-3,7-Dihydroxycholan-24-oic acid monosodium salt
[Molecular Formula]

C24H39NaO4
[MOL File]

2898-95-5.mol
[Molecular Weight]

414.554
Chemical PropertiesBack Directory
[storage temp. ]

Store at -20°C
[solubility ]

DMF: 5 mg/ml; DMSO: 10 mg/ml; Ethanol: 15 mg/ml
[form ]

A crystalline solid
[color ]

White to off-white
[InChIKey]

WDFRNBJHDMUMBL-LEMNXDLSNA-M
[SMILES]

[Na+].[C@H]1(O)C[C@]2([H])[C@](C)(CC1)C1C(C3[C@@](CC1)(C)[C@@H]([C@H](C)CCC([O-])=O)CC3)[C@@H](O)C2 |&1:1,4,6,13,17,18,27,r|
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H319-H335-H315
[Precautionary statements ]

P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Hazard InformationBack Directory
[Description]

Ursodeoxycholic acid (UDCA) is a secondary bile acid formed via epimerization of chenodeoxycholic acid (CDCA; Item No. 10011286). UDCA is also a metabolite of lithocholic acid (LCA; Item No. 20253) in human liver microsomes. It inhibits taurocholic acid (Item No. 16215) uptake in HeLa cells expressing recombinant sodium/taurocholate cotransporting polypeptide (NTCP) with an IC50 value of 3.6 μM. UDCA (50 μM) inhibits apoptosis induced by deoxycholic acid (DCA; Item Nos. 20756 | 18231) or ethanol in primary rat hepatocytes. Dietary administration of UDCA blocks DCA-induced increases in the number of TUNEL-positive hepatocytes in rats. Formulations containing UDCA have been used in the treatment of primary biliary cirrhosis.
Spectrum DetailBack Directory
[Spectrum Detail]

Cholan-24-oic acid, 3,7-dihydroxy-, MonosodiuM salt, (3a,5b,7b)-(2898-95-5)1HNMR
Cholan-24-oic acid, 3,7-dihydroxy-, MonosodiuM salt, (3a,5b,7b)-(2898-95-5)13CNMR
Cholan-24-oic acid, 3,7-dihydroxy-, MonosodiuM salt, (3a,5b,7b)-(2898-95-5)IR1
Cholan-24-oic acid, 3,7-dihydroxy-, MonosodiuM salt, (3a,5b,7b)-(2898-95-5)IR2
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